Detailed information for compound 280025

Basic information

Technical information
  • TDR Targets ID: 280025
  • Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(4-ph enylpiperazin-1-yl)propan-2-yl]-1,2,3,4-tetra hydroisoquinoline-3-carboxamide
  • MW: 503.035 | Formula: C29H31ClN4O2
  • H donors: 2 H acceptors: 2 LogP: 4.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)C[C@H](C(=O)N1CCN(CC1)c1ccccc1)NC(=O)[C@@H]1NCc2c(C1)cccc2
  • InChi: 1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26-,27-/m1/s1
  • InChiKey: ZOGSKNWLMZTMHU-KAYWLYCHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  • (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  • (3R)-N-[(1R)-1-(4-chlorobenzyl)-2-keto-2-(4-phenylpiperazino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  • (3R)-N-[(1R)-1-(4-chlorobenzyl)-2-keto-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0038 0.0039 0.0064
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0137 0.2032
Echinococcus granulosus uridine phosphorylase 1 0.0988 0.6013 1
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0128 0.0212
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0103 0.0446 0.6598
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0136 0.0655 0.0877
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0139 0.0676 0.3802
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0256 0.3785
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.0099 0.0165
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0156 0.0785 1
Toxoplasma gondii hypothetical protein 0.0054 0.014 0.1786
Loa Loa (eye worm) hypothetical protein 0.0072 0.0256 0.0426
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0278 0.1549 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.008 0.0133
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0156 0.0785 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4219
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0234
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.0451 0.075
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0137 0.2032
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.1287 0.2141
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0256 0.0197
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Leishmania major pyruvate kinase 0.007 0.0241 0.3571
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0137 0.0137
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0113 0.1674
Plasmodium falciparum purine nucleoside phosphorylase 0.0139 0.0676 0.8613
Schistosoma mansoni hypothetical protein 0.0043 0.007 0.0116
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0156 0.0785 0.0785
Brugia malayi glutathione reductase 0.005 0.0113 0.0188
Schistosoma mansoni microtubule-associated protein tau 0.0656 0.3929 0.6534
Plasmodium falciparum thioredoxin reductase 0.005 0.0113 0.1442
Brugia malayi uridine phosphorylase family protein 0.0988 0.6013 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0139 0.0676 0.1124
Schistosoma mansoni uridine phosphorylase 0.0988 0.6013 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.0099 0.0165
Chlamydia trachomatis pyruvate kinase 0.007 0.0241 0.1559
Echinococcus granulosus Protein patched homolog 1 0.0044 0.008 0.0133
Echinococcus granulosus pyruvate kinase 0.0036 0.0027 0.0045
Loa Loa (eye worm) hypothetical protein 0.0032 0.0005 0.0009
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.0513 0.7585
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0122 0.1811
Echinococcus granulosus microtubule associated protein 2 0.0656 0.3929 0.6534
Schistosoma mansoni purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0122 0.1811
Echinococcus granulosus tumor protein p63 0.0354 0.203 0.3376
Mycobacterium ulcerans hypothetical protein 0.0072 0.0256 0.1785
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 1
Mycobacterium leprae probable uridine phosphorylase 0.0988 0.6013 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4219
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0137 0.2032
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0256 0.1785
Schistosoma mansoni peptidase Clp (S14 family) 0.0156 0.0785 0.1305
Echinococcus multilocularis uridine phosphorylase 1 0.0988 0.6013 0.6013
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 0.4575
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0156 0.0785 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0139 0.0676 0.4262
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0256 0.3785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0113 0.1674
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Plasmodium vivax glutathione reductase, putative 0.005 0.0113 0.1442
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0137 0.0228
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0256 0.1785
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0122 0.1811
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0241 0.2076
Brugia malayi Thioredoxin reductase 0.005 0.0113 0.0188
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.0241 0.3075
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0137 0.0391
Loa Loa (eye worm) hypothetical protein 0.0049 0.0108 0.018
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.008 0.0133
Brugia malayi hypothetical protein 0.0038 0.0039 0.0064
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0256 0.0197
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0139 0.0676 0.1124
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0592 0.876
Echinococcus multilocularis pyruvate kinase 0.0036 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0032 0.0005 0.0009
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.014 0.1786
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Brugia malayi MAP kinase sur-1 0.0053 0.0137 0.0228
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Schistosoma mansoni pyruvate kinase 0.007 0.0241 0.0401
Toxoplasma gondii phosphorylase family protein 0.0139 0.0676 0.8613
Leishmania major methylthioadenosine phosphorylase, putative 0.0139 0.0676 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.0408 0.0678
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.0446 0.0521
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0676 0.4056
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0234
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.0451 0.075
Plasmodium falciparum pyruvate kinase 0.007 0.0241 0.3075
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0137 0.0228
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0113 0.0188
Loa Loa (eye worm) pyruvate kinase 0.007 0.0241 0.0401
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0139 0.0676 0.8309
Schistosoma mansoni hypothetical protein 0.0096 0.0408 0.0678
Echinococcus multilocularis pyruvate kinase 0.0055 0.0149 0.0149
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0592 0.876
Mycobacterium tuberculosis Conserved hypothetical protein 0.0139 0.0676 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4219
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0122 0.1811
Giardia lamblia UPL-1 0.0139 0.0676 0.4262
Echinococcus granulosus expressed conserved protein 0.0097 0.0411 0.0684
Schistosoma mansoni hypothetical protein 0.0043 0.007 0.0116
Echinococcus multilocularis tumor protein p63 0.0354 0.203 0.203
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.0461 0.0766
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.0241 0.0172
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0139 0.0676 0.4262
Loa Loa (eye worm) hypothetical protein 0.0156 0.0785 0.1305
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0139 0.0676 0.1124
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.0513 0.0634
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0113 0.0113
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.0241 0.3571
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0103 0.0446 0.6598
Leishmania major trypanothione reductase 0.005 0.0113 0.1674
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.0027 0.0027
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0139 0.0676 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0139 0.0676 0.4262
Schistosoma mansoni survival motor neuron protein 0.0096 0.0408 0.0678
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0241 0.3571
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0234
Schistosoma mansoni uridine phosphorylase 0.0988 0.6013 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0137 0.2032
Treponema pallidum uridine phosphorylase (udp) 0.0139 0.0676 0.3802
Trypanosoma brucei pyruvate kinase 1, putative 0.007 0.0241 0.3571
Trypanosoma brucei protein kinase, putative 0.0053 0.0137 0.2032
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0137 0.0228
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0156 0.0785 0.1098
Loa Loa (eye worm) pyruvate kinase-PB 0.0049 0.0108 0.018
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.0446 0.0742
Leishmania major nucleoside phosphorylase-like protein 0.0139 0.0676 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0139 0.0676 0.4219
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0137 0.0391
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.0513 0.7585
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0592 0.876
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0256 0.1785
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0039 0.0064
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0241 0.1098
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0039 0.0064
Schistosoma mansoni methylthioadenosine phosphorylase 0.0139 0.0676 0.1124
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.014 0.1786
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0137 0.0228
Schistosoma mansoni hypothetical protein 0.0043 0.007 0.0116
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0139 0.0676 0.4056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0148 0.0729 0.0729
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0113 0.1442
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0256 0.0426
Loa Loa (eye worm) uridine phosphorylase 0.0988 0.6013 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0047 0.0099 0.0165
Treponema pallidum fructose-bisphosphate aldolase 0.0278 0.1549 1
Trypanosoma brucei uridine phosphorylase 0.0139 0.0676 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0137 0.0391
Brugia malayi MTAP 0.0139 0.0676 0.1124
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0676 0.4056
Schistosoma mansoni pyruvate kinase 0.0036 0.0027 0.0045
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0156 0.0785 0.1305
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0139 0.0676 0.8309
Echinococcus granulosus pyruvate kinase 0.0036 0.0027 0.0045
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.0241 0.0401
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0137 0.0724
Chlamydia trachomatis AMP nucleosidase 0.0139 0.0676 0.8309
Echinococcus multilocularis purine nucleoside phosphorylase 0.0139 0.0676 0.0676
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0137 0.2032
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0136 0.0655 0.7988
Loa Loa (eye worm) hypothetical protein 0.0072 0.0256 0.0426
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0241 0.3571
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0137 0.2032
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.0513 0.7585
Schistosoma mansoni hypothetical protein 0.0043 0.007 0.0116
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0136 0.0655 0.9694
Echinococcus multilocularis pyruvate kinase 0.0036 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0054 0.0143 0.0237
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0256 0.1438
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0256 0.1785
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0139 0.0676 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0139 0.0676 1
Brugia malayi CHE-14 protein 0.0044 0.008 0.0133
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0234
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.008 0.008
Plasmodium falciparum pyruvate kinase 2 0.0036 0.0027 0.0346
Mycobacterium ulcerans pyruvate kinase 0.007 0.0241 0.1559
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0139 0.0676 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Echinococcus granulosus methylthioadenosine phosphorylase 0.0139 0.0676 0.1124
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0256 0.3785
Entamoeba histolytica hypothetical protein 0.0139 0.0676 0.4219
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4219
Plasmodium falciparum glutathione reductase 0.005 0.0113 0.1442
Loa Loa (eye worm) hypothetical protein 0.0044 0.008 0.0133
Giardia lamblia Fructose-bisphosphate aldolase 0.0278 0.1549 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.0513 0.7585
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.0451 0.0451
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0241 0.1098
Echinococcus multilocularis microtubule associated protein 2 0.0656 0.3929 0.3929
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0137 0.175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4219
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.0141 0.1796
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0256 0.1785
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0256 0.3785
Loa Loa (eye worm) hypothetical protein 0.007 0.0241 0.0401
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0278 0.1549 1
Schistosoma mansoni patched 1 0.0044 0.008 0.0133
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0234
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0241 0.2076
Echinococcus granulosus pyruvate kinase 0.007 0.0241 0.0401
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0139 0.0676 1
Echinococcus multilocularis protein patched 0.0044 0.008 0.008
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0241 0.2076
Echinococcus multilocularis survival motor neuron protein 1 0.0473 0.2775 0.2775
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.0513 0.7585
Leishmania major pyruvate kinase 0.007 0.0241 0.3571
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0256 0.0426
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0139 0.0676 0.0912
Loa Loa (eye worm) pyruvate kinase 0.007 0.0241 0.0401
Loa Loa (eye worm) hypothetical protein 0.0473 0.2775 0.4616
Mycobacterium tuberculosis Probable reductase 0.0113 0.0513 0.7585
Trypanosoma brucei trypanothione reductase 0.005 0.0113 0.1674
Loa Loa (eye worm) hypothetical protein 0.0052 0.0128 0.0212
Loa Loa (eye worm) hypothetical protein 0.0072 0.0256 0.0426
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0592 0.077
Brugia malayi Probable ClpP-like protease 0.0156 0.0785 0.1305
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0139 0.0676 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0256 0.3785
Toxoplasma gondii pyruvate kinase PyKII 0.0036 0.0027 0.0346
Echinococcus multilocularis expressed conserved protein 0.0097 0.0411 0.0411
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0139 0.0676 1
Loa Loa (eye worm) pyruvate kinase 0.007 0.0241 0.0401
Plasmodium vivax pyruvate kinase 2, putative 0.0036 0.0027 0.0346
Echinococcus multilocularis protein dispatched 1 0.0051 0.0119 0.0119
Echinococcus granulosus pyruvate kinase 0.007 0.0241 0.0401
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.0241 0.0401
Schistosoma mansoni pyruvate kinase 0.007 0.0241 0.0401
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0005 0.0009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0039 0.0039
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0139 0.0676 0.8613
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0156 0.0785 0.5
Echinococcus granulosus pyruvate kinase 0.0036 0.0027 0.0045
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Echinococcus granulosus survival motor neuron protein 1 0.0473 0.2775 0.4616
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.1549 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0256 0.1438
Echinococcus multilocularis pyruvate kinase 0.007 0.0241 0.0241
Brugia malayi hypothetical protein 0.0473 0.2775 0.4616
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Loa Loa (eye worm) glutathione reductase 0.005 0.0113 0.0188
Treponema pallidum pfs protein (pfs) 0.0139 0.0676 0.3802
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0256 0.1438
Toxoplasma gondii thioredoxin reductase 0.005 0.0113 0.1442
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0139 0.0676 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0139 0.0676 0.1124
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0139 0.0676 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0139 0.0676 0.8613
Onchocerca volvulus 0.0072 0.0256 0.234
Echinococcus multilocularis pyruvate kinase 0.007 0.0241 0.0241
Brugia malayi follicle stimulating hormone receptor 0.0236 0.1287 0.2141
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0256 0.1785
Entamoeba histolytica pyruvate kinase, putative 0.0049 0.0108 0.0461
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0256 0.0426
Loa Loa (eye worm) hypothetical protein 0.0103 0.0451 0.075
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.0141 0.1796
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0113 0.0188
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0139 0.0676 0.0676
Toxoplasma gondii phosphorylase family protein 0.0139 0.0676 0.8613
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0139 0.0676 0.8309
Trypanosoma brucei pyruvate kinase 1 0.007 0.0241 0.3571
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.0451 0.2727
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0256 0.1785
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0139 0.0676 0.4056
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0137 0.0391
Schistosoma mansoni methylthioadenosine phosphorylase 0.0139 0.0676 0.1124
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.0099 0.0165
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.0446 0.0446
Onchocerca volvulus 0.0096 0.0408 0.5113
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0137 0.2032
Mycobacterium tuberculosis Hypothetical protein 0.0139 0.0676 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.0141 0.2085
Plasmodium vivax pyruvate kinase, putative 0.007 0.0241 0.3075
Echinococcus granulosus Niemann Pick C1 protein 0.0148 0.0729 0.1213
Giardia lamblia Pyruvate kinase 0.007 0.0241 0.1407

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 360 nM Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release ChEMBL. 14736255
EC50 (functional) = 360 nM Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release ChEMBL. 14736255
Ki (binding) = 6600 nM Binding affinity towards human melanocortin 4 receptor using [125I]-NDP-alpha-MSH as a radioligand in HEK293 cells ChEMBL. 14736255
Ki (binding) = 6600 nM Binding affinity towards human melanocortin 4 receptor using [125I]-NDP-alpha-MSH as a radioligand in HEK293 cells ChEMBL. 14736255

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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